(2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide

C9H15NO2S — CID 126537620

IUPAC(2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide
SMILESC/C=C\C=C(/C=C\C)S(=O)(=O)NC
InChIInChI=1S/C9H15NO2S/c1-4-6-8-9(7-5-2)13(11,12)10-3/h4-8,10H,1-3H3/b6-4-,7-5-,9-8+
InChIKeyVMJHBQFCWZDTNM-VHIIXJFGSA-N
MW201.29 g/mol
LogP1.57
Rot. Bonds4

About (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide

(2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide (PubChem CID 126537620) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide.

Molecular Properties

Compound Name(2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide
PubChem CID126537620
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide
SMILESC/C=C\C=C(/C=C\C)S(=O)(=O)NC
InChIInChI=1S/C9H15NO2S/c1-4-6-8-9(7-5-2)13(11,12)10-3/h4-8,10H,1-3H3/b6-4-,7-5-,9-8+
InChIKeyVMJHBQFCWZDTNM-VHIIXJFGSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide?
The IUPAC name of (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide (CID 126537620) is (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide.
What is the SMILES notation for (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide?
The canonical SMILES for (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide is C/C=C\C=C(/C=C\C)S(=O)(=O)NC.
What is the InChIKey of (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide?
The InChIKey is VMJHBQFCWZDTNM-VHIIXJFGSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-4-6-8-9(7-5-2)13(11,12)10-3/h4-8,10H,1-3H3/b6-4-,7-5-,9-8+.
What are the key properties of (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide?
(2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-N-methylocta-2,4,6-triene-4-sulfonamide is sourced from PubChem (CID 126537620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).